Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Cu__MO_396616545191_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.592786550521851
cohesive_energy=3.511869165642938
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.592944892234892e-19, 2.26055907820962e-19, 2.7716854679883e-19, 3.19656668955876e-19, 3.54526441218252e-19, 3.8421958077617396e-19, 4.0982877209402994e-19, 4.3207659683375397e-19, 4.51483762401396e-19, 4.68442802072286e-19, 4.83274151173224e-19, 4.96261394968428e-19, 5.077938623799599e-19, 5.18457950055864e-19, 5.28330562474572e-19, 5.36692322327418e-19, 5.434583142528e-19, 5.4893775834108e-19, 5.533517549677499e-19, 5.56822069556994e-19, 5.59427208763878e-19, 5.61229657477128e-19, 5.62279083172398e-19, 5.626187446188059e-19, 5.62255050522888e-19, 5.61079052873532e-19, 5.58960975363384e-19, 5.55735793799142e-19, 5.5123207528096795e-19, 5.4527678473239e-19, 5.3773053278625e-19, 5.2834978859418e-19, 5.164888749726779e-19, 5.0143322114298e-19, 4.82654108815866e-19, 4.5952829128070995e-19, 4.31208217098126e-19, 3.9661081486352996e-19, 3.544014714408e-19, 3.0323596063401e-19, 2.41866186845274e-19, 1.65862131681582e-19, 7.06686467548086e-20, -4.8081801439330196e-20, -1.9677773201124597e-19, -3.8430770049104396e-19, -6.25066783282224e-19, -9.3399687967347e-19, -1.337125349084112e-18, -1.88132386894182e-18, -2.62160958268152e-18, -3.643285578650639e-18, -5.07420555224238e-18, -6.9910176336273e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -1.33896745442359e-24 eV

========================================
theta = 0.0
========================================

Energy: 0.013711758681066622
Energy: 0.014141678183428546
Energy: 0.6378459343824674
Energy: 0.014141678183428546
Energy: 0.014141678183428546
Energy: 0.8031619318832731
Energy: 0.014141678183428546
Energy: 0.8031619318832731
Energy: 0.6378459343824674
Energy: 0.014141678183428546
Energy: 0.013711758681066622
Energy: 0.11241276449575933
Energy: 0.014141678183428546
Energy: 0.8031619318832731
Energy: 0.11241276449575933
Energy: 0.8031619318832731

minimum gb energy = 0.013711758681066622 eV
minimum distance =  2.49692721512622 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 1.2880684515812848
Energy: 0.8522931193486678
Energy: 0.9036358833330779
Energy: 0.852293119349438
Energy: 0.8879267282544616
Energy: 0.9383463239465328
Energy: 0.8694005587293395
Energy: 0.9383463239465328
Energy: 0.903076177823083
Energy: 0.9017474496735668
Energy: 0.8676013977200477
Energy: 0.9017474496735668
Energy: 0.8709795047220167
Energy: 0.8677991799108528
Energy: 0.8686037461419732
Energy: 0.8677991799108528
Energy: 0.9161635669767167
Energy: 0.8702070370881907
Energy: 0.8720007442787887
Energy: 0.8702070370881907
Energy: 0.8713682677388939
Energy: 0.9688452489199765
Energy: 0.8691858038666164
Energy: 0.9688452489199765
Energy: 0.9180514095744333
Energy: 0.9489007064914999
Energy: 0.9160075440746029
Energy: 0.9489007064914999
Energy: 0.9183476959295745
Energy: 0.9184959547891636
Energy: 0.9544342628291527
Energy: 0.9184959547891636
Energy: 0.9386529286428574
Energy: 1.0005595827930995
Energy: 0.9399033745369744
Energy: 1.0005595827930995
Energy: 0.9515195615134717
Energy: 0.9836658836075316
Energy: 0.9403361055658177
Energy: 0.9836658836075316
Energy: 0.9365680378109094
Energy: 1.0002422616302276
Energy: 0.9393158073248378
Energy: 1.0002422616302276
Energy: 0.9179942446368852
Energy: 0.9990698335283857
Energy: 0.958126292355018
Energy: 0.9990698335283857
Energy: 0.9330013259613933
Energy: 0.9489864298798066
Energy: 0.8875384207313883
Energy: 0.9489864298798066
Energy: 0.9276267452507115
Energy: 0.9511082184072929
Energy: 0.9207142546764947
Energy: 0.9511082184065227
Energy: 0.8877551449426303
Energy: 0.8689584692856994
Energy: 0.8687379813792053
Energy: 0.8689584692856994
Energy: 0.8483046567215102
Energy: 0.8684767413472345
Energy: 0.8689402545233552
Energy: 0.8684767413472345
Energy: 0.9024669386279432
Energy: 0.9023530976069817
Energy: 0.8475466442907749
Energy: 0.9023530976069817
Energy: 0.8691608679148859
Energy: 0.8692180716473846
Energy: 0.8873703742192851
Energy: 0.8692180716473846
Energy: 0.8692095853533094
Energy: 0.9027192795561979
Energy: 0.904417040507302
Energy: 0.9027192795561979
Energy: 0.8700136680934697
Energy: 0.868375263573197
Energy: 0.8704252951923223
Energy: 0.868375263573197
Energy: 0.869634469052883
Energy: 0.870634849630041
Energy: 0.9159254583312488
Energy: 0.870634849630041
Energy: 0.868960811037446
Energy: 0.8687992179335369
Energy: 0.8706778889112328
Energy: 0.8687992179335369
Energy: 0.9163519266644162
Energy: 0.9506154828163978
Energy: 0.9171730028991697
Energy: 0.9506154828163978
Energy: 0.9020752217424508
Energy: 0.9505907730265885
Energy: 0.9185114195091457
Energy: 0.9505907730265885
Energy: 0.9406449407674784
Energy: 1.000560183806789
Energy: 0.9383445826633053
Energy: 1.000560183806789
Energy: 0.9421605611984916
Energy: 0.9978804922468634
Energy: 0.9532240164140375
Energy: 0.9978804922468634
Energy: 0.9394352269010147
Energy: 0.9994768861163139
Energy: 0.9363725662364477
Energy: 0.9994768861163139
Energy: 0.9553709792699433
Energy: 0.999299128664072
Energy: 0.9448829408090726
Energy: 0.999299128664072
Energy: 0.8873004346843619
Energy: 0.9500472682681499
Energy: 0.9351988596716909
Energy: 0.9500472682681499
Energy: 0.9207606249527049
Energy: 0.9499484484356423
Energy: 0.9276174237002611
Energy: 0.9499484484356423
Energy: 0.8682159660170331
Energy: 0.8681580056384609
Energy: 0.8873112984594533
Energy: 0.8681580056384609
Energy: 0.8683712093778482
Energy: 0.8689005551195996
Energy: 0.8482828290361125
Energy: 0.8689005551195996
Energy: 0.8473216034024703
Energy: 0.9021571686250895
Energy: 0.9028905033884937
Energy: 0.9021571686243195

minimum gb energy = 0.8473216034024703 eV
minimum distance =  2.3103599345437 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.448922401549885
Energy: 0.8943242620239068
Energy: 0.9483685070959224
Energy: 0.8943242620239068
Energy: 0.9386027545411436
Energy: 0.9856491313844498
Energy: 0.9143887903387421
Energy: 0.9856491313844498
Energy: 0.94914003972334
Energy: 0.9500444890141888
Energy: 0.913148712357881
Energy: 0.9500444890141888
Energy: 0.9177494853521692
Energy: 0.9139506355925894
Energy: 0.9141952076349517
Energy: 0.9139506355925894
Energy: 0.9144392669239461
Energy: 0.9157818581189372
Energy: 0.9136512770284526
Energy: 0.9157818581189372
Energy: 0.917695062799354
Energy: 0.9163742902017593
Energy: 0.9151125466148363
Energy: 0.9163742902008813
Energy: 0.9744023019008488
Energy: 1.0085329501459006
Energy: 0.9709077878305353
Energy: 1.0085329501459006
Energy: 0.973446066253475
Energy: 1.010121273550334
Energy: 0.9531226488930806
Energy: 1.010121273550334
Energy: 0.9728719715343436
Energy: 1.057681877350148
Energy: 0.9896595219634738
Energy: 1.057681877351026
Energy: 0.9534568286028146
Energy: 1.0711841396306643
Energy: 0.9736056958633096
Energy: 1.0711841396306643
Energy: 0.9388769458076915
Energy: 1.0076144537161056
Energy: 0.9731309249648479
Energy: 1.0076144537152276
Energy: 0.9748798994565337
Energy: 1.0085977544653653
Energy: 0.921456606204279
Energy: 1.0085977544653653
Energy: 0.914964849934072
Energy: 0.9151602413441735
Energy: 0.9379481049008431
Energy: 0.9151602413441735
Energy: 0.914174416442586
Energy: 0.9142371930768333
Energy: 0.8880949510191395
Energy: 0.9142371930768333
Energy: 0.888092279184773
Energy: 0.9497397205364341
Energy: 0.9503776505082742
Energy: 0.9497397205364341
Energy: 0.9388116448912427
Energy: 0.917591277005355
Energy: 0.9142153580380814
Energy: 0.917591277005355
Energy: 0.9490451525252844
Energy: 0.9493885050349657
Energy: 0.9148000461967148
Energy: 0.9493885050349657
Energy: 0.9172588972936495
Energy: 0.9147471645702853
Energy: 0.9168770576156284
Energy: 0.9147471645702853
Energy: 0.913750120936558
Energy: 0.9179484413556119
Energy: 0.9152105043281363
Energy: 0.917948441354734
Energy: 0.9179678550694752
Energy: 0.9147668155757249
Energy: 0.9151551042249869
Energy: 0.9147668155757249
Energy: 0.9716212248147359
Energy: 1.010302811291669
Energy: 0.9707847039483792
Energy: 1.010302811292547
Energy: 0.9712772839261616
Energy: 1.0094487987256957
Energy: 0.9515940790608807
Energy: 1.0094487987256957
Energy: 0.9723757977833861
Energy: 1.0578662612029002
Energy: 0.989776216782563
Energy: 1.0578662612029002
Energy: 1.010450901698953
Energy: 1.0578737574347605
Energy: 1.0010845925820977
Energy: 1.0578737574347605
Energy: 0.9393628231695466
Energy: 1.0080598433981394
Energy: 1.0000388612946307
Energy: 1.0080598433981394
Energy: 0.9749958642935705
Energy: 1.0074827379281743
Energy: 0.9836239117137756
Energy: 1.0074827379281743
Energy: 0.9145990822621469
Energy: 0.9144528494713131
Energy: 0.9380798333281911
Energy: 0.9144528494713131
Energy: 0.9144722211314427
Energy: 0.9145985964833543
Energy: 0.8880915677375809
Energy: 0.9145985964833543
Energy: 0.8869545865078967
Energy: 0.9495469446972504
Energy: 0.9505071374058597
Energy: 0.9495469446972504

minimum gb energy = 0.8869545865078967 eV
minimum distance =  2.30772014298928 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 1.391457530064064
Energy: 0.9378756200896036
Energy: 1.0015067521095717
Energy: 0.9378756200885828
Energy: 0.9996798626968163
Energy: 1.0366381586500928
Energy: 0.9671801873340156
Energy: 1.0366381586500928
Energy: 1.0009666228190783
Energy: 1.0016542732539557
Energy: 0.9648574807240988
Energy: 1.0016542732539557
Energy: 0.97122013228269
Energy: 1.0368058388316197
Energy: 0.9669167521358015
Energy: 1.0368058388326404
Energy: 0.9648360704269011
Energy: 0.9672844371166475
Energy: 0.9664681880338509
Energy: 0.9672844371166475
Energy: 0.9700044324062862
Energy: 0.967987398212216
Energy: 0.9671453360417206
Energy: 0.967987398212216
Energy: 1.022125729851295
Energy: 1.0806586594362162
Energy: 1.019836291266648
Energy: 1.0806586594362162
Energy: 1.020363262274761
Energy: 1.0809963972296843
Energy: 0.9464466803568302
Energy: 1.0809963972296843
Energy: 1.022321991397228
Energy: 1.0793260317649376
Energy: 1.0012139118826833
Energy: 1.0793260317649376
Energy: 0.970496753294762
Energy: 1.079480719482121
Energy: 0.9666716966462554
Energy: 1.079480719482121
Energy: 0.9298217565941836
Energy: 0.9678622734607882
Energy: 0.9676833490801026
Energy: 0.9678622734607882
Energy: 0.930991565723972
Energy: 0.9668613503081497
Energy: 0.9670563561016139
Energy: 0.9668613503081497
Energy: 1.001107755357124
Energy: 1.002621946392367
Energy: 0.9297011298419909
Energy: 1.0026219463933874
Energy: 0.967295754470622
Energy: 0.9709485114549997
Energy: 0.9999654729707304
Energy: 0.9709485114549997
Energy: 0.964618027821342
Energy: 1.0021023395489939
Energy: 1.0021811250425858
Energy: 1.0021023395489939
Energy: 1.0007611142005222
Energy: 0.9674007939284052
Energy: 0.9711794995726651
Energy: 0.9674007939284052
Energy: 0.9692274264963161
Energy: 0.9706065349866305
Energy: 0.9648013505583892
Energy: 0.9706065349866305
Energy: 0.9670575892968524
Energy: 0.9670276906613334
Energy: 0.9702175731115639
Energy: 0.9670276906613334
Energy: 1.0191644575033916
Energy: 1.0819137013920033
Energy: 1.0261400636299678
Energy: 1.0819137013920033
Energy: 0.9470123368731249
Energy: 1.0814021411695647
Energy: 1.0226878578598206
Energy: 1.0814021411695647
Energy: 1.0000780082576035
Energy: 1.0793801066136472
Energy: 1.021687761157159
Energy: 1.0793801066136472
Energy: 1.0004999323882537
Energy: 1.0791845135514269
Energy: 0.9722040371960372
Energy: 1.0791845135514269
Energy: 0.9673274298492023
Energy: 0.9675066917636419
Energy: 0.9298441000705044
Energy: 0.9675066917636419
Energy: 0.9666008593975879
Energy: 0.967317889664768
Energy: 0.9306621170495643
Energy: 0.967317889664768
Energy: 0.929054680935243
Energy: 0.9705816491491502
Energy: 1.002324078386385
Energy: 0.9705816491491502

minimum gb energy = 0.929054680935243 eV
minimum distance =  2.28704949131361 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 1.4040373530691348
Energy: 1.0259197120319543
Energy: 1.076196179363819
Energy: 1.0259197120319543
Energy: 1.0634981120186382
Energy: 1.1060542057386786
Energy: 1.06571244265973
Energy: 1.1060542057386786
Energy: 1.0773653671176322
Energy: 1.0773860569618996
Energy: 1.1010150916252928
Energy: 1.0773860569618996
Energy: 1.0426557283690083
Energy: 1.1072084278289764
Energy: 1.0456353547303778
Energy: 1.1072084278289764
Energy: 1.0048762758552443
Energy: 1.0453427947875455
Energy: 1.0442522831025876
Energy: 1.0453427947875455
Energy: 1.0444339662560784
Energy: 1.0447309761266454
Energy: 1.0473778145424741
Energy: 1.0447309761266454
Energy: 1.058686320568697
Energy: 1.1619082702766808
Energy: 1.046075565385062
Energy: 1.1619082702766808
Energy: 1.0838031282291813
Energy: 1.1076045052623649
Energy: 1.057100714835175
Energy: 1.1076045052635826
Energy: 1.0936882814312645
Energy: 1.0941676151424793
Energy: 1.0202384156962216
Energy: 1.0941676151424793
Energy: 1.0934776431151445
Energy: 1.0779001773088819
Energy: 1.0081401386855504
Energy: 1.0779001773076644
Energy: 0.971518491739888
Energy: 0.9909799858874001
Energy: 0.990031055400145
Energy: 0.9909799858874001
Energy: 1.0723037877546198
Energy: 0.9736881706914139
Energy: 0.9903325138973531
Energy: 0.9736881706914139
Energy: 1.12221427630393
Energy: 1.1223864666597845
Energy: 1.1015951286733743
Energy: 1.1223864666597845
Energy: 1.1297593422933523
Energy: 1.0781040780677786
Energy: 1.0903002009835823
Energy: 1.0781040780677786
Energy: 1.0046419441409822
Energy: 1.0582357668203421
Energy: 1.0436089876140395
Energy: 1.0582357668215598
Energy: 1.0511016169278935
Energy: 1.058329506588948
Energy: 1.0434485590878269
Energy: 1.058329506588948
Energy: 1.0600466156064108
Energy: 1.1696866210042223
Energy: 1.043933792638785
Energy: 1.16968662100544
Energy: 1.0596490591513108
Energy: 1.185171351740309
Energy: 1.0438246258712072
Energy: 1.185171351740309
Energy: 1.044602106914377
Energy: 1.0460975901799037
Energy: 1.0202306212701187
Energy: 1.0460975901799037
Energy: 1.0449408747967777
Energy: 1.0458742498111853
Energy: 1.020119943624011
Energy: 1.0458742498111853
Energy: 1.0199927801940698
Energy: 1.0666713370462064
Energy: 1.0769197050596704
Energy: 1.0666713370462064

minimum gb energy = 0.971518491739888 eV
minimum distance =  2.2728170230244 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 1.1727632433734394
Energy: 1.024423516411056
Energy: 1.1228819026330825
Energy: 1.024423516411056
Energy: 1.1315982532937283
Energy: 1.1002775691071203
Energy: 1.043335445771631
Energy: 1.1002775691071203
Energy: 1.1220242250778947
Energy: 1.1246385379977089
Energy: 1.1180521695555168
Energy: 1.1246385379977089
Energy: 1.123324090312344
Energy: 1.1005646671747933
Energy: 1.043673031129964
Energy: 1.1005646671747933
Energy: 1.089361354858614
Energy: 1.1583403581753853
Energy: 1.0433800835672018
Energy: 1.1583403581753853
Energy: 1.0174132502176796
Energy: 1.0432592044857838
Energy: 1.0410837218318758
Energy: 1.0432592044857838
Energy: 1.0134969311437456
Energy: 1.101636432113562
Energy: 1.0452930872313628
Energy: 1.101636432113562
Energy: 1.0136598138360997
Energy: 1.1010782810012427
Energy: 1.045384646769782
Energy: 1.1010782810012427
Energy: 1.1210799217101124
Energy: 1.1226078765758911
Energy: 1.2148142984572325
Energy: 1.1226078765758911
Energy: 1.1232618493009077
Energy: 1.0183296690889854
Energy: 1.1295572017894693
Energy: 1.0183296690889854
Energy: 1.1172793354371484
Energy: 1.1225240775848164
Energy: 1.1259109950514867
Energy: 1.1225240775848164
Energy: 1.1168297993160372
Energy: 1.1019884562515134
Energy: 1.1234394824244256
Energy: 1.101988456253019
Energy: 1.042108765639244
Energy: 1.1643506495171825
Energy: 1.0894094162270598
Energy: 1.1643506495171825
Energy: 1.0433402528063254
Energy: 1.0987437114350722
Energy: 1.0190565548934174
Energy: 1.0987437114350722
Energy: 1.0942286523530322
Energy: 1.0435996815126205
Energy: 1.0137949821526118
Energy: 1.0435996815126205
Energy: 1.0421670664181226
Energy: 1.157159661915712
Energy: 1.0135207773168666
Energy: 1.157159661915712
Energy: 1.2157051642563768
Energy: 1.0187956273005965
Energy: 1.1236936046362638
Energy: 1.0187956273005965

minimum gb energy = 1.0134969311437456 eV
minimum distance =  2.34612113712502 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.5813679473999767
Energy: 1.1567209476559535
Energy: 1.216838598316278
Energy: 1.1567209476559535
Energy: 1.1108567172325636
Energy: 1.112698414568553
Energy: 1.1705281878040403
Energy: 1.112698414568553
Energy: 1.0972011841594171
Energy: 1.097174062007667
Energy: 1.2210427001938167
Energy: 1.0971740620085202
Energy: 1.0985147300352367
Energy: 1.1009252079111322
Energy: 1.1122348158419675
Energy: 1.1009252079111322
Energy: 1.0983419228795637
Energy: 1.1820596270954742
Energy: 1.0401253616603856
Energy: 1.1820596270954742
Energy: 1.099894430494304
Energy: 1.1543035148153677
Energy: 1.0978363976521277
Energy: 1.1543035148153677
Energy: 1.1485515794342158
Energy: 1.0959262812518276
Energy: 1.0948748528052974
Energy: 1.0959262812518276
Energy: 1.2796311324883645
Energy: 1.1122289546505637
Energy: 1.097026991152322
Energy: 1.1122289546505637
Energy: 1.2199273066093301
Energy: 1.218134170453032
Energy: 1.2161381188952298
Energy: 1.218134170453032
Energy: 1.2243839122690825
Energy: 1.1825012022675934
Energy: 1.2199075510177702
Energy: 1.1825012022675934
Energy: 1.0964432195839366
Energy: 1.0636420465518763
Energy: 1.0570788465902503
Energy: 1.0636420465518763
Energy: 1.1724117310740565
Energy: 1.0850146655003265
Energy: 1.062149290849357
Energy: 1.0850146655003265
Energy: 1.1519085033150678
Energy: 1.0846659845339297
Energy: 1.0827844920714145
Energy: 1.0846659845339297
Energy: 1.1509802215514238
Energy: 1.1136296993441375
Energy: 1.0579628743745952
Energy: 1.1136296993449903
Energy: 1.2208652870764394
Energy: 1.1709980642751554
Energy: 1.2788251221378513
Energy: 1.1709980642751554
Energy: 1.220153041442996
Energy: 1.2187559467396816
Energy: 1.2798098006537062
Energy: 1.2187559467396816
Energy: 1.2160993440368155
Energy: 1.0962763418653458
Energy: 1.0976911265348515
Energy: 1.0962763418653458
Energy: 1.216644770657117
Energy: 1.0967539878530757
Energy: 1.0951139585217502
Energy: 1.0967539878530757
Energy: 1.0973308436281617
Energy: 1.1836481527415301
Energy: 1.0983701962080552
Energy: 1.1836481527415301
Energy: 1.1256276130244554
Energy: 1.1553433177975967
Energy: 1.0973619743048966
Energy: 1.1553433177975967
Energy: 1.0969993762618757
Energy: 1.11428989747099
Energy: 1.2618764088843142
Energy: 1.11428989747099
Energy: 1.0976464102800125
Energy: 1.097811414277957
Energy: 1.3125691746237587
Energy: 1.097811414277957
Energy: 1.1670194230843098
Energy: 1.1823561451636242
Energy: 1.169867061786962
Energy: 1.1823561451636242
Energy: 1.1674208414489695
Energy: 1.2174865245759527
Energy: 1.2180235181838361
Energy: 1.2174865245759527
Energy: 1.0601736555164
Energy: 1.084034564637361
Energy: 1.2222461394096091
Energy: 1.084034564637361
Energy: 1.0628431485894476
Energy: 1.0849851891792108
Energy: 1.0968031368266826
Energy: 1.0849851891792108
Energy: 1.0567401864436194
Energy: 1.0606396313268034
Energy: 1.1725968053801348
Energy: 1.0606396313268034
Energy: 1.0659450544046958
Energy: 1.0840657117174146
Energy: 1.150630195186017
Energy: 1.0840657117174146
Energy: 1.059571933363091
Energy: 1.1159855805366425
Energy: 1.1512818434230112
Energy: 1.1159855805366425
Energy: 1.2973834952668146
Energy: 1.2173152033017203
Energy: 1.2157276557198786
Energy: 1.2173152033017203

minimum gb energy = 1.0401253616603856 eV
minimum distance =  2.29721788116295 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.4447218964998754
Energy: 1.0019494841632424
Energy: 1.1524487339951712
Energy: 1.0019494841632424
Energy: 1.2911265456154855
Energy: 1.0640596120811747
Energy: 1.148037547541266
Energy: 1.0640596120811747
Energy: 1.150455456067463
Energy: 1.1506717956301282
Energy: 1.1709659039327747
Energy: 1.1506717956320915
Energy: 1.1535945514897579
Energy: 1.0653830476546655
Energy: 1.1555375551192504
Energy: 1.0653830476546655
Energy: 1.1801526171092218
Energy: 1.0647551586967097
Energy: 0.9911928811856832
Energy: 1.0647551586967097
Energy: 1.1551237314209872
Energy: 1.0694530231944406
Energy: 1.000410901279821
Energy: 1.0694530231944406
Energy: 1.2933938814864672
Energy: 1.1495994404384453
Energy: 1.1477997451269244
Energy: 1.1495994404384453
Energy: 1.294064354008324
Energy: 1.0671351896763834
Energy: 1.1528869942109414
Energy: 1.0671351896763834
Energy: 1.1497844663731926
Energy: 1.150278106709271
Energy: 1.1691670961327958
Energy: 1.150278106709271
Energy: 1.154781486760603
Energy: 1.0682132737573433
Energy: 1.1500013906255315
Energy: 1.0682132737573433
Energy: 1.1791112270415613
Energy: 1.0712869143100872
Energy: 1.0014129713400723
Energy: 1.0712869143100872
Energy: 1.1541659272981686
Energy: 1.0639536942288708
Energy: 0.9884867376641436
Energy: 1.0639536942288708
Energy: 1.2943114708819816
Energy: 1.0699091951284807
Energy: 1.1519354790254113
Energy: 1.0699091951284807

minimum gb energy = 0.9884867376641436 eV
minimum distance =  2.33752135882914 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.4098183120383323
Energy: 1.210520106327861
Energy: 1.2798708746798375
Energy: 1.210520106327861
Energy: 1.1357402261632004
Energy: 1.0751275792394437
Energy: 1.291821844436746
Energy: 1.0751275792394437
Energy: 1.0786643721628641
Energy: 1.0775732649587844
Energy: 1.3156006040683075
Energy: 1.0775732649587844
Energy: 1.0782018153073236
Energy: 1.0775449781442246
Energy: 1.2829231806438306
Energy: 1.0775449781442246
Energy: 1.0747720502666058
Energy: 1.074145437964577
Energy: 1.3530812130516026
Energy: 1.0741454379653037
Energy: 1.0742179644164045
Energy: 1.0752695425176182
Energy: 1.3520735482788606
Energy: 1.0752695425176182
Energy: 1.279434200500995
Energy: 1.2728316333733536
Energy: 1.2859133760787724
Energy: 1.2728316333733536
Energy: 1.2789685572014942
Energy: 1.1887565601480397
Energy: 1.2739599535851074
Energy: 1.1887565601480397
Energy: 1.13631388155999
Energy: 1.2015608024516167
Energy: 1.1465075318367695
Energy: 1.2015608024516167
Energy: 1.0702001837679853
Energy: 1.1540384268713708
Energy: 1.2780685801165843
Energy: 1.1540384268713708
Energy: 1.1361224809740815
Energy: 1.1354146356527157
Energy: 1.1962610262432427
Energy: 1.1354146356527157
Energy: 1.142498604472766
Energy: 1.208326498891493
Energy: 1.349602241920669
Energy: 1.208326498891493
Energy: 1.2811306536262692
Energy: 1.1373024746286817
Energy: 1.1497886696130426
Energy: 1.137302474629408
Energy: 1.2811177681600527
Energy: 1.1369784485522774
Energy: 1.139635515263896
Energy: 1.1369784485530041
Energy: 1.2748669472011134
Energy: 1.1476609741835464
Energy: 1.1374511534988712
Energy: 1.1476609741835464
Energy: 1.2220386616867203
Energy: 1.208610512118089
Energy: 1.1380136384150163
Energy: 1.208610512118089
Energy: 1.274359571995242
Energy: 1.0792843823062375
Energy: 1.1387457558733491
Energy: 1.0792843823062375
Energy: 1.2776348057030222
Energy: 1.2763533424731814
Energy: 1.4087782477746693
Energy: 1.2763533424731814
Energy: 1.2921298523950568
Energy: 1.0752979192856824
Energy: 1.071742573147666
Energy: 1.0752979192856824
Energy: 1.3191441690145855
Energy: 1.07942342592411
Energy: 1.07878988623697
Energy: 1.07942342592411
Energy: 1.284480278855711
Energy: 1.0763524841709051
Energy: 1.0768351840224415
Energy: 1.0763524841709051
Energy: 1.3720864929107448
Energy: 1.0744306266204466
Energy: 1.074220138263213
Energy: 1.0744306266204466
Energy: 1.3523157967607036
Energy: 1.0754399762624633
Energy: 1.0734874867474866
Energy: 1.0754399762624633
Energy: 1.285715545246028
Energy: 1.2728363225641077
Energy: 1.279279353860904
Energy: 1.2728363225641077
Energy: 1.2737008078801593
Energy: 1.2759273971448843
Energy: 1.2790471158370456
Energy: 1.2759273971456109
Energy: 1.14547778282986
Energy: 1.2007080045330711
Energy: 1.1352925154391789
Energy: 1.2007080045330711
Energy: 1.2802627479445778
Energy: 1.1533576422761935
Energy: 1.0707064203162813
Energy: 1.1533576422769203
Energy: 1.1973214231105445
Energy: 1.1362051330764738
Energy: 1.1353649271995796
Energy: 1.1362051330764738
Energy: 1.4038266349103035
Energy: 1.1408875094671327
Energy: 1.1420604773645318
Energy: 1.1408875094671327
Energy: 1.151238196982431
Energy: 1.136422051899178
Energy: 1.2806848915722242
Energy: 1.136422051899178
Energy: 1.140193380844197
Energy: 1.13791478955071
Energy: 1.2716246186723823
Energy: 1.13791478955071
Energy: 1.1405393168466846
Energy: 1.133658537530231
Energy: 1.2747426359817393
Energy: 1.133658537530231
Energy: 1.1388663977619486
Energy: 1.2086648137389853
Energy: 1.215574678505256
Energy: 1.2086648137389853
Energy: 1.1381098899901418
Energy: 1.0795954141144004
Energy: 1.1941997212873559
Energy: 1.0795954141144004
Energy: 1.349256127083208
Energy: 1.2746567071885524
Energy: 1.2750144004303423
Energy: 1.2746567071892791

minimum gb energy = 1.0702001837679853 eV
minimum distance =  2.30421726989022 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.4742051729200114
Energy: 1.1468217226463788
Energy: 1.228135566725903
Energy: 1.1468217226463788
Energy: 1.1468875903707376
Energy: 1.0980408544945142
Energy: 1.2175819796731395
Energy: 1.098040854493361
Energy: 1.094619249682867
Energy: 1.095632682411602
Energy: 1.275837533281079
Energy: 1.095632682411602
Energy: 1.0938301283375724
Energy: 1.0958989761226758
Energy: 1.341212060115178
Energy: 1.0958989761226758
Energy: 1.097523537390126
Energy: 1.0990906514612804
Energy: 1.2849230102293216
Energy: 1.0990906514612804
Energy: 1.0976547255874152
Energy: 1.0992185325676138
Energy: 1.2851762033917167
Energy: 1.0992185325676138
Energy: 1.1473311280786362
Energy: 1.2583291898013218
Energy: 1.2782915799101258
Energy: 1.2583291898013218
Energy: 1.1465834809200317
Energy: 1.256020506075717
Energy: 1.256325034533284
Energy: 1.256020506075717
Energy: 1.1453428523937748
Energy: 1.2218715976535066
Energy: 1.2590497475928761
Energy: 1.2218715976535066
Energy: 1.141439361984494
Energy: 1.2109358490561148
Energy: 1.253132318962695
Energy: 1.2109358490561148
Energy: 1.1462975857265287
Energy: 1.08221248757511
Energy: 1.0770323820898242
Energy: 1.08221248757511
Energy: 1.1341392758620208
Energy: 1.08034000560916
Energy: 1.3376339635647896
Energy: 1.08034000560916
Energy: 1.2592057777712071
Energy: 1.1635199906647948
Energy: 1.1310515168885518
Energy: 1.1635199906647948
Energy: 1.2594329209757462
Energy: 1.143507097212933
Energy: 1.137094401504554
Energy: 1.143507097212933
Energy: 1.2771225244644395
Energy: 1.1342727421592258
Energy: 1.128800174415156
Energy: 1.1342727421592258
Energy: 1.2932908263563208
Energy: 1.1346280074667154
Energy: 1.135911140126005
Energy: 1.1346280074667154
Energy: 1.2854650707853437
Energy: 1.2089474251868015
Energy: 1.1439614455877052
Energy: 1.2089474251868015
Energy: 1.2295743688072476
Energy: 1.220468369854306
Energy: 1.1472546373253971
Energy: 1.220468369854306
Energy: 1.2230311536723641
Energy: 1.1773864323511085
Energy: 1.1639800289011917
Energy: 1.1773864323511085
Energy: 1.224065036049202
Energy: 1.1716887231845772
Energy: 1.2167051919596528
Energy: 1.1716887231845772
Energy: 1.222301006413571
Energy: 1.1771467377981277
Energy: 1.1396467307103157
Energy: 1.1771467377981277
Energy: 1.2893267154631711
Energy: 1.219167670400471
Energy: 1.2222238951043156
Energy: 1.2191676703993177

minimum gb energy = 1.0770323820898242 eV
minimum distance =  2.2696436883722 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 1.673148179636071
Energy: 1.1002645134737432
Energy: 1.2327182833718213
Energy: 1.1002645134737432
Energy: 1.1990483099657605
Energy: 1.1621617742538537
Energy: 1.2050101017537254
Energy: 1.1621617742538537
Energy: 1.0914294670301576
Energy: 1.0917462026882383
Energy: 1.1936627165785496
Energy: 1.0917462026882383
Energy: 1.0900312206132023
Energy: 1.0914409639965452
Energy: 1.206607069322649
Energy: 1.0914409639965452
Energy: 1.0935220442562816
Energy: 1.0973730596377083
Energy: 1.2841163262393958
Energy: 1.0973730596377083
Energy: 1.0939948589459436
Energy: 1.106756995250092
Energy: 1.284007608817587
Energy: 1.1067569952492766
Energy: 1.199179561580021
Energy: 1.091608948610779
Energy: 1.0917199315720034
Energy: 1.091608948610779
Energy: 1.1989697284955796
Energy: 1.1034429692221992
Energy: 1.1044873048027872
Energy: 1.1034429692221992
Energy: 1.3252445161735877
Energy: 1.0922616057686494
Energy: 1.0921234746547273
Energy: 1.0922616057686494
Energy: 1.2933024373445545
Energy: 1.0914972090105777
Energy: 1.0935283355865033
Energy: 1.0914972090105777
Energy: 1.2068515516209566
Energy: 1.200829089077126
Energy: 1.0948025530774372
Energy: 1.200829089077126
Energy: 1.2111191222974904
Energy: 1.206945586289673
Energy: 1.1965963815369411
Energy: 1.206945586289673
Energy: 1.1978664278746591
Energy: 1.1601560295065316
Energy: 1.2167956486234361
Energy: 1.1601560295065316
Energy: 1.1960237937119962
Energy: 1.1572659750999281
Energy: 1.0990341671234702
Energy: 1.1572659750999281
Energy: 1.2181761636564257
Energy: 1.158827418729569
Energy: 1.1019391018573808
Energy: 1.158827418729569
Energy: 1.0979075675116063
Energy: 1.2070208470365715
Energy: 1.206011509471619
Energy: 1.2070208470373867
Energy: 1.0975969069190163
Energy: 1.200898128573599
Energy: 1.2081832447811316
Energy: 1.200898128573599
Energy: 1.095010770235885
Energy: 1.0919213677085418
Energy: 1.194658868055022
Energy: 1.0919213677085418
Energy: 1.0920085717484187
Energy: 1.0922910917391353
Energy: 1.20570402483482
Energy: 1.0922910917391353
Energy: 1.1067995492022733
Energy: 1.1033280546839876
Energy: 1.1007403117741859
Energy: 1.1033280546839876
Energy: 1.0915943294402495
Energy: 1.0910796199484323
Energy: 1.2860923464036795
Energy: 1.0910796199484323
Energy: 1.199179838264728
Energy: 1.1043667720346664
Energy: 1.0938068363789213
Energy: 1.1043667720338513
Energy: 1.1988176112794695
Energy: 1.1021650909039875
Energy: 1.1007676078440287
Energy: 1.1021650909039875
Energy: 1.327231392369637
Energy: 1.091129579377248
Energy: 1.0901547402158354
Energy: 1.0911295793764326
Energy: 1.2911386106180966
Energy: 1.0918619875407785
Energy: 1.0911090548743845
Energy: 1.0918619875407785
Energy: 1.291714097695634
Energy: 1.0956784110919813
Energy: 1.0988793904244738
Energy: 1.0956784110919813
Energy: 1.2321071668148176
Energy: 1.2329018669487026
Energy: 1.4796041399311965
Energy: 1.2329018669487026
Energy: 1.2055092352476469
Energy: 1.16221465687025
Energy: 1.2156041500367631
Energy: 1.16221465687025
Energy: 1.1968655070580696
Energy: 1.1581345052097085
Energy: 1.197557402905948
Energy: 1.1581345052097085
Energy: 1.2151954298695808
Energy: 1.1616040273840509
Energy: 1.0986304019624538
Energy: 1.1616040273840509
Energy: 1.096912655861154
Energy: 1.2143697444252401
Energy: 1.2130006920309455
Energy: 1.2143697444252401

minimum gb energy = 1.0900312206132023 eV
minimum distance =  2.2784454900214 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 1.0181899160579468
Energy: 1.0201072627552834
Energy: 1.0403504727793749
Energy: 1.0201072627552834
Energy: 1.0265096034039451
Energy: 1.1233881927680371
Energy: 1.0452650843180487
Energy: 1.1233881927680371
Energy: 1.0381337164753621
Energy: 1.1012750042161799
Energy: 1.0220432466883766
Energy: 1.1012750042161799
Energy: 1.0258315189964526
Energy: 1.0407703751278419
Energy: 1.0381990170983186
Energy: 1.0407703751281259
Energy: 1.0356796360142349
Energy: 1.0440671850339471
Energy: 1.0240088441196256
Energy: 1.0440671850311705
Energy: 1.0391060840899
Energy: 1.1074606011417436
Energy: 1.0253475370064715
Energy: 1.1074606011417436
Energy: 1.0208810456227138
Energy: 1.100514830350913
Energy: 1.0371507323890448
Energy: 1.100514830350913
Energy: 1.0443898140744987
Energy: 1.0476762110714781
Energy: 1.0266008094426213
Energy: 1.0476762110717623
Energy: 1.0259738865402086
Energy: 1.0415357804865386
Energy: 1.0451729252488384
Energy: 1.0415357804865386

minimum gb energy = 1.0181899160579468 eV
minimum distance =  2.31623590252664 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.3540831492557226
Energy: 0.9994389393754358
Energy: 1.1722569249596548
Energy: 0.9994389393754358
Energy: 1.0383136362904566
Energy: 1.0198958033315286
Energy: 1.1893443240568502
Energy: 1.0198958033315286
Energy: 1.189962882138233
Energy: 1.1009832363291507
Energy: 1.195755374401001
Energy: 1.1009832363291507
Energy: 1.0400468581074422
Energy: 1.103399938359814
Energy: 1.2072826703920305
Energy: 1.103399938359814
Energy: 1.178732557431157
Energy: 1.0193962017741711
Energy: 1.1915248745294844
Energy: 1.0193962017741711
Energy: 1.0442817675640863
Energy: 1.0303520299126152
Energy: 1.1918723515289458
Energy: 1.0303520299126152
Energy: 1.0179293060539019
Energy: 1.0171778304069483
Energy: 1.2059203805536822
Energy: 1.0171778304069483
Energy: 1.0272441004674633
Energy: 1.021256077421713
Energy: 1.3481278704802855
Energy: 1.021256077421713
Energy: 1.0658556280592313
Energy: 1.0578773520015419
Energy: 1.3274906074900787
Energy: 1.0578773520015419
Energy: 1.194778669958888
Energy: 0.997523294597394
Energy: 1.0009778845154191
Energy: 0.997523294597394
Energy: 1.06733951752193
Energy: 0.9966383426971009
Energy: 0.9953071436143625
Energy: 0.9966383426971009
Energy: 1.3380302972748768
Energy: 1.001288527131937
Energy: 0.9960422860112661
Energy: 1.001288527131937
Energy: 1.3438090574254233
Energy: 0.9955052384644711
Energy: 1.0242213009637828
Energy: 0.9955052384644711
Energy: 1.036135663119032
Energy: 1.0529717355996244
Energy: 1.193271519725811
Energy: 1.0529717355996244
Energy: 1.0202762828501373
Energy: 1.017999009456806
Energy: 1.1951361931371303
Energy: 1.017999009456806
Energy: 1.0219946156576702
Energy: 1.0202601411107926
Energy: 1.1786846960568014
Energy: 1.0202601411107926
Energy: 1.018640522226767
Energy: 1.0176365701302301
Energy: 1.037100309837969
Energy: 1.0176365701310004
Energy: 1.2092635553977957
Energy: 1.0210793121895116
Energy: 1.0384473201011086
Energy: 1.0210793121895116
Energy: 1.1963241760893462
Energy: 1.1028052561286192
Energy: 1.190190214145046
Energy: 1.1028052561286192
Energy: 1.2070688846376854
Energy: 1.1028948448988563
Energy: 1.0372477225148848
Energy: 1.1028948448988563
Energy: 1.19348734769064
Energy: 1.028241281306394
Energy: 1.205782420671861
Energy: 1.028241281306394
Energy: 1.1909898596088329
Energy: 1.017869067838476
Energy: 1.0173778859919629
Energy: 1.017869067838476
Energy: 1.1809092329361897
Energy: 1.017403250948083
Energy: 1.0189663086963752
Energy: 1.017403250948083
Energy: 1.3440106188059164
Energy: 1.0201783222403873
Energy: 1.0231858897652604
Energy: 1.0201783222403873
Energy: 1.3280753878670923
Energy: 1.0587492838943604
Energy: 1.0425647714500497
Energy: 1.0587492838943604
Energy: 1.0135593092712127
Energy: 0.9988394482346479
Energy: 1.1951225666420007
Energy: 0.9988394482346479
Energy: 0.998518161701162
Energy: 0.9971546963063663
Energy: 1.0665983376043013
Energy: 0.9971546963063663
Energy: 0.9951745893755689
Energy: 0.9980043530486952
Energy: 1.0728721330105844
Energy: 0.9980043530494653
Energy: 1.019260878299515
Energy: 0.9963900509121817
Energy: 1.3482532419731013
Energy: 0.9963900509129517
Energy: 1.194193237330793
Energy: 1.0522384225183767
Energy: 1.0426617765610047
Energy: 1.0522384225183767
Energy: 1.1936557307184783
Energy: 1.018720323443818
Energy: 1.0195859547989203
Energy: 1.018720323443818
Energy: 1.1541633245553733
Energy: 1.0190664888736112
Energy: 1.0185916477500476
Energy: 1.0190664888736112
Energy: 1.038827888676011
Energy: 1.0170216030572747
Energy: 1.0189641906586744
Energy: 1.0170216030572747

minimum gb energy = 0.9951745893755689 eV
minimum distance =  2.28491031502106 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 1.4326305975633942
Energy: 0.9586527170055977
Energy: 1.1426669648530658
Energy: 0.9586527170055977
Energy: 1.0248645232484015
Energy: 0.9753859653696919
Energy: 0.9983931268952462
Energy: 0.9753859653696919
Energy: 1.1789985857006182
Energy: 1.0792176380974543
Energy: 1.208704203683045
Energy: 1.0792176380974543
Energy: 0.995366680192108
Energy: 1.079538542902543
Energy: 0.9767902935347458
Energy: 1.079538542902543
Energy: 0.973232048887335
Energy: 0.9748501556961673
Energy: 1.1989067312819748
Energy: 0.9748501556972321
Energy: 0.9725757337649567
Energy: 0.9996651824575614
Energy: 1.1993882029356007
Energy: 0.9996651824564966
Energy: 0.9700474698584779
Energy: 0.9712958775770915
Energy: 0.9764371864663405
Energy: 0.9712958775770915
Energy: 0.9759911246216544
Energy: 0.977169428606964
Energy: 1.3306633393478084
Energy: 0.977169428606964
Energy: 1.1937113452930217
Energy: 1.0341223639711188
Energy: 1.1496026236443182
Energy: 1.0341223639711188
Energy: 1.2114454157024885
Energy: 0.9793065448609205
Energy: 0.9767845662466071
Energy: 0.9793065448609205
Energy: 1.1946968538539477
Energy: 0.9715178989644078
Energy: 0.9708343315307214
Energy: 0.9715178989654726
Energy: 0.9427482365169222
Energy: 0.9820566060565015
Energy: 0.9718708784944197
Energy: 0.9820566060565015
Energy: 0.9420156642478004
Energy: 0.9724747177741356
Energy: 0.9731454495121343
Energy: 0.9724747177741356
Energy: 0.9752458384243826
Energy: 1.0787257323652508
Energy: 1.206659569538798
Energy: 1.0787257323641861
Energy: 0.9969979403053877
Energy: 1.0776584664233255
Energy: 1.2060363998395305
Energy: 1.0776584664233255
Energy: 0.9943938002953238
Energy: 0.9740438300354546
Energy: 0.9748188566097771
Energy: 0.9740438300354546
Energy: 0.9732745715974649
Energy: 0.974323794990598
Energy: 1.200312817888694
Energy: 0.974323794990598
Energy: 0.9969116000936151
Energy: 0.9774647940164595
Energy: 0.9706731331056839
Energy: 0.9774647940164595
Energy: 0.9704647516142617
Energy: 0.973466464068435
Energy: 1.1386849979618563
Energy: 0.973466464068435
Energy: 1.0009544136547701
Energy: 0.9952241129459619
Energy: 1.1525941916929385
Energy: 0.9952241129459619
Energy: 1.1994232078996006
Energy: 1.0259159046518154
Energy: 0.9746849233949552
Energy: 1.0259159046518154
Energy: 1.1999885465026963
Energy: 0.9738255294733006
Energy: 0.9755240045462764
Energy: 0.9738255294733006
Energy: 0.9752002249764065
Energy: 0.9716142510660574
Energy: 0.9720534538910915
Energy: 0.9716142510660574
Energy: 0.9420165138587882
Energy: 0.9723389892788248
Energy: 0.9718449356066786
Energy: 0.9723389892788248

minimum gb energy = 0.9420156642478004 eV
minimum distance =  2.28719884267888 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 1.516675823135968
Energy: 0.9500570004052185
Energy: 1.1456570210436305
Energy: 0.9500570004347749
Energy: 0.978855860299447
Energy: 0.963040193875611
Energy: 1.1058020646214577
Energy: 0.963040193875611
Energy: 1.2434495265837573
Energy: 0.9641467887652013
Energy: 1.110418667838597
Energy: 0.9641467887645432
Energy: 1.2424763250086959
Energy: 1.0162046941903657
Energy: 1.105823483335829
Energy: 1.0162046941903657
Energy: 1.0661785627559845
Energy: 0.9437894666960653
Energy: 1.0990444167926243
Energy: 0.9437894666954072
Energy: 0.9450147117985587
Energy: 0.9432356062071354
Energy: 1.0928994103725187
Energy: 0.9432356062071354
Energy: 0.9445658858763052
Energy: 0.9433664949398781
Energy: 1.0319008308256163
Energy: 0.9433664949398781
Energy: 0.9524764712993955
Energy: 0.9462960047185663
Energy: 0.9529653086931696
Energy: 0.9462960047185663
Energy: 1.072410243670267
Energy: 0.947307053897497
Energy: 1.2225013078380205
Energy: 0.9473070538968389
Energy: 1.1064547625693746
Energy: 1.0166938308869158
Energy: 1.105598625868228
Energy: 1.0166938308862576
Energy: 1.0688944683268056
Energy: 0.9591629725536867
Energy: 0.9720746625247092
Energy: 0.9591629725543449
Energy: 1.0987224298687852
Energy: 0.9650977127062585
Energy: 1.1050375408871422
Energy: 0.9650977127062585
Energy: 1.0999167708783066
Energy: 0.9591608814300419
Energy: 0.960295869404289
Energy: 0.9591608814300419
Energy: 0.9762860012048853
Energy: 0.9590882449917344
Energy: 0.9614458660606546
Energy: 0.9590882449917344
Energy: 1.2391415643052923
Energy: 0.9622268938196057
Energy: 0.9696924239304763
Energy: 0.9622268938189474
Energy: 0.9545197044085305
Energy: 0.9609839669555268
Energy: 0.9618196171137834
Energy: 0.9609839669561848
Energy: 0.9926925767278382
Energy: 1.1007881849177181
Energy: 1.1100713137577158
Energy: 1.1007881849177181
Energy: 0.9593239474565007
Energy: 0.959838664818125
Energy: 1.2355478939221838
Energy: 0.9598386648174668
Energy: 0.9899573005077942
Energy: 0.9623410686949571
Energy: 1.2179744466624216
Energy: 0.9623410686949571
Energy: 0.9691789402706645
Energy: 0.9610958451445909
Energy: 0.9407446356289884
Energy: 0.9610958451439328
Energy: 1.1154585714548086
Energy: 0.9616194701352664
Energy: 0.964757192580809
Energy: 0.9616194701352664
Energy: 1.1128291434337065
Energy: 1.136359696178959
Energy: 1.2420837863028604
Energy: 1.136359696178959
Energy: 1.0808266063186271
Energy: 1.0133840258770468
Energy: 1.242102878183123
Energy: 1.0133840258770468
Energy: 1.1234373873751973
Energy: 0.9453431580595255
Energy: 1.078966036928093
Energy: 0.9453431580575511
Energy: 1.0923625948237579
Energy: 0.9533706303950786
Energy: 0.9437913124047759
Energy: 0.9533706303950786
Energy: 1.1252547976787326
Energy: 0.9443837592888898
Energy: 0.9475011930738454
Energy: 0.9443837592882316
Energy: 0.9411833760814943
Energy: 0.9468695980806274
Energy: 0.9516687715251895
Energy: 0.9468695980799692
Energy: 1.083445949421919
Energy: 0.9468529378021128
Energy: 1.2375901994481293
Energy: 0.9468529378021128
Energy: 1.1069155001165951
Energy: 1.0129337715986007
Energy: 1.1073117212305537
Energy: 1.0129337715986007
Energy: 0.9734284700757992
Energy: 0.9589137163727909
Energy: 1.0671785386379682
Energy: 0.9589137163727909
Energy: 1.0809962605098469
Energy: 0.9608605962026566
Energy: 1.0996047845209471
Energy: 0.9608605962026566
Energy: 0.9590640037914542
Energy: 0.9602030837172472
Energy: 1.1198846406147414
Energy: 0.9602030837172472
Energy: 0.9594279545016989
Energy: 0.9584648625775962
Energy: 0.986389900680415
Energy: 0.9584648625775962
Energy: 0.9675837610130509
Energy: 0.9639485074234253
Energy: 1.2396114054185938
Energy: 0.9639485074227673
Energy: 0.9639291088605166
Energy: 0.9986049778891873
Energy: 1.1048846281020328
Energy: 0.9986049778891873
Energy: 1.3801624590702204
Energy: 0.9650249363154089
Energy: 0.9642884267102635
Energy: 0.9650249363147506
Energy: 1.229858451850035
Energy: 0.9588946376118922
Energy: 0.959770234160831
Energy: 0.9588946376118922
Energy: 1.2336633927029244
Energy: 0.9639843758661623
Energy: 0.9807983930982095
Energy: 0.9639843758661623

minimum gb energy = 0.9407446356289884 eV
minimum distance =  2.2782498284815 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 1.5916082924777726
Energy: 0.9098774889605469
Energy: 0.8822964072786194
Energy: 0.9098774889605469
Energy: 0.8748484495664548
Energy: 0.9694379395697619
Energy: 0.8811093888460505
Energy: 0.9694379395697619
Energy: 0.8708200358696904
Energy: 0.9694099778160655
Energy: 0.9004942484010905
Energy: 0.9694099778160655
Energy: 0.8722294465124766
Energy: 0.9699547486574803
Energy: 0.8791166802534107
Energy: 0.9699547486574803
Energy: 0.8773269329773824
Energy: 0.8783912058955069
Energy: 0.8935935832407726
Energy: 0.8783912058955069
Energy: 0.8775930190972747
Energy: 0.8791631205560116
Energy: 0.8923807089333524
Energy: 0.8791631205560116
Energy: 0.8767590723659155
Energy: 0.8758181572596317
Energy: 0.8797253022307525
Energy: 0.8758181572596317
Energy: 0.8807366187173423
Energy: 0.8824487504868318
Energy: 0.8699475796968986
Energy: 0.8824487504868318
Energy: 0.880870564269009
Energy: 0.8812252044695753
Energy: 0.8764126091984847
Energy: 0.8812252044678532
Energy: 0.9036421381461692
Energy: 0.9711468117471715
Energy: 0.8986620712941574
Energy: 0.9711468117471715
Energy: 0.8792054045272587
Energy: 0.9704170926986949
Energy: 0.8690906007837094
Energy: 0.9704170926986949
Energy: 0.8927738143958003
Energy: 0.883902874091439
Energy: 0.8796179116390084
Energy: 0.883902874091439
Energy: 0.8935283741673707
Energy: 0.8798916742778721
Energy: 0.877269622269426
Energy: 0.8798916742778721
Energy: 0.8975668499138189
Energy: 0.8753147729771915
Energy: 0.8755968614997724
Energy: 0.8753147729771915
Energy: 0.8699986174298817
Energy: 0.8788350855193479
Energy: 0.8798556742804514
Energy: 0.8788350855193479

minimum gb energy = 0.8690906007837094 eV
minimum distance =  2.30790271551284 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 1.418871494064602
Energy: 0.8401998775145867
Energy: 1.0599731303991853
Energy: 0.8401998775145867
Energy: 1.1894166270663893
Energy: 0.8323279506210912
Energy: 0.996793465691522
Energy: 0.8323279506210912
Energy: 0.8420791935882455
Energy: 0.8300732011039986
Energy: 0.9830498842525209
Energy: 0.8300732011032769
Energy: 1.120705809372598
Energy: 0.8336222491711176
Energy: 0.9699926285707596
Energy: 0.8336222491718395
Energy: 0.9751700630046451
Energy: 0.8322187875649942
Energy: 1.2461286410645727
Energy: 0.8322187875649942
Energy: 0.9844825744626488
Energy: 0.8321771939773107
Energy: 1.2450239368406872
Energy: 0.8321771939780326
Energy: 0.9814990893127497
Energy: 0.8306235997043723
Energy: 0.9679105831662693
Energy: 0.8306235997043723
Energy: 0.838352886586126
Energy: 0.8319747669590206
Energy: 1.2295387051431683
Energy: 0.8319747669590206
Energy: 0.8459700074473477
Energy: 0.8332306432535594
Energy: 0.9694845369001013
Energy: 0.8332306432528376
Energy: 0.8292053049804001
Energy: 0.8300088003005334
Energy: 0.9715086976944194
Energy: 0.8300088003005334
Energy: 0.8510818568152178
Energy: 0.8352429103971724
Energy: 1.4200682846680603
Energy: 0.8352429103964506
Energy: 0.9783795476437516
Energy: 0.8297931279637984
Energy: 0.9721271392165931
Energy: 0.8297931279637984
Energy: 0.982900689193726
Energy: 0.8825205941683693
Energy: 0.9831732009964056
Energy: 0.8825205941683693
Energy: 0.9705269434157023
Energy: 0.885015778198949
Energy: 1.1231198052187081
Energy: 0.885015778198949
Energy: 1.2240966314940118
Energy: 0.8324887461961377
Energy: 0.9716683159710237
Energy: 0.8324887461961377
Energy: 1.234433036944295
Energy: 0.831203904670748
Energy: 0.8337043954239886
Energy: 0.831203904670748
Energy: 0.9719358846775383
Energy: 0.8302374683461479
Energy: 0.8337161682651067
Energy: 0.8302374683461479
Energy: 0.8700964306489658
Energy: 0.8319213207074688
Energy: 0.8367039048793539
Energy: 0.8319213207074688
Energy: 1.0952981331939788
Energy: 0.8325950955542493
Energy: 0.9669890737076398
Energy: 0.8325950955542493
Energy: 0.971263652261362
Energy: 0.8291507454744671
Energy: 0.9786361154491344
Energy: 0.8291507454744671
Energy: 1.1199704260085395
Energy: 0.8367578567224285
Energy: 0.9668969125778774
Energy: 0.8367578567224285
Energy: 0.9717634260333451
Energy: 0.8933035603552789
Energy: 1.245406242322961
Energy: 0.8933035603552789
Energy: 0.9753662510337708
Energy: 0.832495837144227
Energy: 1.2469664007154007
Energy: 0.8324958371449488
Energy: 0.8340765140496385
Energy: 0.828924959170458
Energy: 0.9706446729092038
Energy: 0.8289249591719016
Energy: 0.9692130485820236
Energy: 0.830353263030801
Energy: 0.9897079353337286
Energy: 0.830353263030801
Energy: 0.8305481935470134
Energy: 0.845317711691384
Energy: 0.9878611434072044
Energy: 0.845317711692106
Energy: 0.8294134966947277
Energy: 0.8287256306126645
Energy: 0.9727322986951763
Energy: 0.8287256306126645
Energy: 0.8516217105210938
Energy: 0.8347655939753736
Energy: 1.3550789579654208
Energy: 0.8347655939753736
Energy: 0.9663856356390643
Energy: 0.8330531646664829
Energy: 1.096701132206055
Energy: 0.8330531646664829
Energy: 0.9774146519713277
Energy: 0.8858189717917605
Energy: 0.9668203878021152
Energy: 0.8858189717917605
Energy: 0.9722985801110623
Energy: 0.8901319165967746
Energy: 1.1215555680142717
Energy: 0.8901319165960531
Energy: 0.9890993053214753
Energy: 0.8317246170731261
Energy: 0.9662463832075568
Energy: 0.8317246170738479
Energy: 0.9886710084328306
Energy: 0.8324768409800761
Energy: 0.8491008348616141
Energy: 0.8324768409800761
Energy: 1.1459370273542104
Energy: 0.8286355487746858
Energy: 0.8300545874408114
Energy: 0.8286355487746858
Energy: 1.0952966900498806
Energy: 0.8308687964746994
Energy: 0.8348968179004422
Energy: 0.8308687964746994

minimum gb energy = 0.8286355487746858 eV
minimum distance =  2.29449236048803 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 1.2497808128252792
Energy: 0.7990960058767206
Energy: 0.7582254929785878
Energy: 0.7990960058767206
Energy: 1.221152710483607
Energy: 0.7572211372882941
Energy: 0.9912614854650605
Energy: 0.7572211372882941
Energy: 1.2237185611981405
Energy: 0.7558689489318611
Energy: 1.0009640024510613
Energy: 0.7558689489318611
Energy: 1.2223265037661843
Energy: 0.8543622962906422
Energy: 0.9945974619357345
Energy: 0.8543622962906422
Energy: 1.228202907301974
Energy: 0.8535885054675217
Energy: 0.9974849222091418
Energy: 0.8535885054675217
Energy: 0.9084215717790013
Energy: 0.7571385970763135
Energy: 1.2295940121751512
Energy: 0.7571385970763135
Energy: 0.7578235298600303
Energy: 0.7552077369553292
Energy: 1.2291287673140103
Energy: 0.7552077369553292
Energy: 0.7669797605333809
Energy: 0.7565467370589762
Energy: 1.2231799778765036
Energy: 0.7565467370689104
Energy: 0.7573157414989675
Energy: 0.7602229754502283
Energy: 1.2230432217474774
Energy: 0.7602229754502283
Energy: 0.7557624093624944
Energy: 0.7570700766048559
Energy: 1.1318388547278269
Energy: 0.7570700766048559
Energy: 0.7581523735269786
Energy: 0.7990960058767206
Energy: 1.2497808128252792
Energy: 0.7602516228742757
Energy: 0.9912614854650605
Energy: 0.7572211372882941
Energy: 1.1312205504728288
Energy: 0.7572211372882941
Energy: 1.0009640024498196
Energy: 0.7558689489318611
Energy: 1.2237185611981405
Energy: 0.7558689489318611
Energy: 0.9945974619357345
Energy: 0.8543622962906422
Energy: 1.2223265037326567
Energy: 0.8543622962906422
Energy: 0.9974849222103835
Energy: 0.8535885054675217
Energy: 1.228202907301974
Energy: 0.8535885054675217
Energy: 1.1535029661939038
Energy: 0.7571385970763135
Energy: 0.9991175408271723
Energy: 0.7571385970763135
Energy: 1.2291287673140103
Energy: 0.7552077369553292
Energy: 0.7578235298600303
Energy: 0.7552077369553292
Energy: 1.223179977840492
Energy: 0.7565467370701522
Energy: 0.7669797605346228
Energy: 0.7565467370664267
Energy: 1.2230432217474774
Energy: 0.7602229754502283
Energy: 0.7573157414989675
Energy: 0.7602229754502283
Energy: 1.2325665678581796
Energy: 0.7570700766048559
Energy: 0.7557624093624944
Energy: 0.7570700766048559

minimum gb energy = 0.7552077369553292 eV
minimum distance =  2.30502317059468 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 1.4512885797533899
Energy: 0.7088746561931392
Energy: 0.6757372539670389
Energy: 0.7088746561931392
Energy: 1.3387171185710198
Energy: 0.6719584148262973
Energy: 0.8644100423468355
Energy: 0.6719584148262973
Energy: 1.3416154642730433
Energy: 0.6710402875839686
Energy: 0.8653056616987601
Energy: 0.6710402875839686
Energy: 1.0492407077087296
Energy: 0.6774438580292607
Energy: 0.8652267511985747
Energy: 0.6774438580302303
Energy: 1.200823779331198
Energy: 0.7485795081444253
Energy: 1.2007365216002435
Energy: 0.7485795081492735
Energy: 1.0610281368193695
Energy: 0.7469129948133498
Energy: 1.202472630441695
Energy: 0.7469129948133498
Energy: 1.0543488200451967
Energy: 0.7487737800213636
Energy: 1.200952934131445
Energy: 0.7487737800213636
Energy: 0.8649719511891744
Energy: 0.6778635931561618
Energy: 1.2007407062932864
Energy: 0.6778635931561618
Energy: 0.8697062670843728
Energy: 0.6708935330009065
Energy: 1.3426721354297524
Energy: 0.6708935330009065
Energy: 0.8689850362863795
Energy: 0.6722237981124993
Energy: 1.3465561155887353
Energy: 0.6722237981124993
Energy: 0.6722289759517318
Energy: 0.6758751567104236
Energy: 1.2494074042164145
Energy: 0.6758751567104236
Energy: 0.6753939018325262
Energy: 0.6718265952114233
Energy: 1.3461665546325545
Energy: 0.6718265952114233
Energy: 0.6730970925867804
Energy: 0.6743209034490536
Energy: 1.338750349429361
Energy: 0.6743209034490536
Energy: 0.6860722372999216
Energy: 0.6792688038503709
Energy: 1.3356591659190764
Energy: 0.6792688038503709
Energy: 0.8666381664066188
Energy: 0.6705691746510566
Energy: 1.3430062409070453
Energy: 0.6705691746510566
Energy: 0.8705617939557085
Energy: 0.6728532361690229
Energy: 1.337973878195397
Energy: 0.6728532361690229
Energy: 1.0690736162492829
Energy: 0.6743831519606834
Energy: 1.3377443318381432
Energy: 0.6743831519606834
Energy: 0.8599660939052968
Energy: 0.7520180212533089
Energy: 1.205547016215939
Energy: 0.7520180212542785
Energy: 1.2001954951731875
Energy: 0.7479049140111105
Energy: 1.0551180596807337
Energy: 0.7479049140111105
Energy: 1.34678699114807
Energy: 0.7479831887521041
Energy: 1.060025873161932
Energy: 0.7479831887521041
Energy: 1.2506596618221357
Energy: 0.6757412892225426
Energy: 0.8675729057221476
Energy: 0.6757412892225426
Energy: 1.3469688059313445
Energy: 0.6701031507265308
Energy: 0.671755241179208
Energy: 0.6701031507265308
Energy: 1.344907566361995
Energy: 0.6742768138095296
Energy: 0.8719066694629267
Energy: 0.6742768138095296
Energy: 1.2033770551419423
Energy: 0.6789169345859204
Energy: 0.6718771175329705
Energy: 0.6789169345849506
Energy: 1.3440386602219287
Energy: 0.6707739173169829
Energy: 0.6713923212587846
Energy: 0.6707739173169829
Energy: 1.335000037100759
Energy: 0.6732029065709868
Energy: 0.6772836911449919
Energy: 0.6732029065709868

minimum gb energy = 0.6701031507265308 eV
minimum distance =  2.30448903885311 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 1.57343643294966
Energy: 0.6220759017959047
Energy: 0.8875181207707854
Energy: 0.6220759017959047
Energy: 1.4207333663228094
Energy: 0.6098104244193163
Energy: 0.7685918678746219
Energy: 0.6098104244193163
Energy: 1.4166497184789801
Energy: 0.6085263959956129
Energy: 0.7701175816829989
Energy: 0.6085263959956129
Energy: 1.1905057679631748
Energy: 0.6146302730392454
Energy: 0.9447383087395773
Energy: 0.6146302730392454
Energy: 1.3064134494383064
Energy: 0.6062794381818136
Energy: 1.0556427023012618
Energy: 0.6062794381826087
Energy: 1.1847722692908675
Energy: 0.6081587533731494
Energy: 1.0603801846190006
Energy: 0.6081587533731494
Energy: 1.1894013317991052
Energy: 0.6736408362236551
Energy: 1.1909175997226593
Energy: 0.6736408362244501
Energy: 1.067542787366718
Energy: 0.6749019552090457
Energy: 1.0551848938975532
Energy: 0.6749019552098408
Energy: 0.9231590700491246
Energy: 0.6697021410520166
Energy: 1.3006205997399054
Energy: 0.6697021410464519
Energy: 0.9252819483008039
Energy: 0.606551635627248
Energy: 1.4160971968204534
Energy: 0.606551635627248
Energy: 0.7801503722906575
Energy: 0.6141778837985206
Energy: 1.2960539040025694
Energy: 0.6141778837977255
Energy: 0.7631736664225612
Energy: 0.6072689472430921
Energy: 1.4178385372935547
Energy: 0.6072689472430921
Energy: 0.7754353908724801
Energy: 0.6098991274140166
Energy: 1.419778738032089
Energy: 0.6098991274140166
Energy: 0.6185027470196718
Energy: 0.615313582697164
Energy: 1.2952470321619987
Energy: 0.615313582697164
Energy: 0.6096866299653997
Energy: 0.6088179158213504
Energy: 1.4141404575971759
Energy: 0.6088179158213504
Energy: 0.6137114119843815
Energy: 0.6099731226510614
Energy: 1.4176300733598366
Energy: 0.6099731226510614
Energy: 0.7764955322625452
Energy: 0.6121032751879946
Energy: 1.4080619441979918
Energy: 0.6121032751887896
Energy: 0.7617776882701145
Energy: 0.6066697750926043
Energy: 1.4140039957432193
Energy: 0.6066697750926043
Energy: 0.7700804005153181
Energy: 0.61142866828412
Energy: 1.186415804762895
Energy: 0.61142866828412
Energy: 1.0593334518133264
Energy: 0.609743824006507
Energy: 1.1840918838961214
Energy: 0.609743824006507
Energy: 1.076044546744071
Energy: 0.6073817204443019
Energy: 1.2980499306601856
Energy: 0.6073817204435069
Energy: 1.060536549798331
Energy: 0.6717323722760777
Energy: 1.1926087548643556
Energy: 0.6717323722760777
Energy: 1.3012918198670018
Energy: 0.6697866120632808
Energy: 1.1822622361780104
Energy: 0.6697866120624859
Energy: 1.0551062906386117
Energy: 0.6727094523360043
Energy: 1.0594280920298098
Energy: 0.6727094523360043
Energy: 1.2989170890548594
Energy: 0.6074027178567414
Energy: 0.9145509246667968
Energy: 0.6074027178567414
Energy: 1.300651114183601
Energy: 0.6091675505067327
Energy: 1.0585237378839838
Energy: 0.6091675505051427
Energy: 1.3055781646328943
Energy: 0.6119626250843213
Energy: 0.7787901230281676
Energy: 0.6119626250843213
Energy: 1.4131430978324484
Energy: 0.6070564899381096
Energy: 0.7611373189663223
Energy: 0.6070564899349297
Energy: 1.304973601531218
Energy: 0.612082179221756
Energy: 0.7759277034198334
Energy: 0.612082179221756
Energy: 1.3012566734698345
Energy: 0.613267832092975
Energy: 0.6146639072600296
Energy: 0.613267832092975
Energy: 1.4141231168631774
Energy: 0.608272767204773
Energy: 0.6092123060151455
Energy: 0.608272767204773
Energy: 1.4082326907699396
Energy: 0.6146295729615533
Energy: 0.6076658299612795
Energy: 0.6146295729615533

minimum gb energy = 0.6062794381818136 eV
minimum distance =  2.30448229303213 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 1.3661338892874053
Energy: 0.5707891045927577
Energy: 0.8521011313611996
Energy: 0.5707891045914107
Energy: 1.4681001213268474
Energy: 0.5613877940182856
Energy: 0.6966675039547816
Energy: 0.5613877940182856
Energy: 1.4659527020950194
Energy: 0.5605601022316793
Energy: 0.6955032340178788
Energy: 0.5605601022316793
Energy: 1.2758268943971498
Energy: 0.5651967173854963
Energy: 0.9579088596096115
Energy: 0.5651967173854963
Energy: 1.3687320500558973
Energy: 0.5577171875647116
Energy: 0.9451157584429861
Energy: 0.5577171875613443
Energy: 1.2687307204092102
Energy: 0.5584430025853091
Energy: 0.9483028965680284
Energy: 0.5584430025853091
Energy: 1.0645030912161961
Energy: 0.5613463274782322
Energy: 1.1642813842613338
Energy: 0.5613463274782322
Energy: 1.1697917432446294
Energy: 0.6168512721709511
Energy: 0.9445440160950507
Energy: 0.6168512721716247
Energy: 1.0606739698950498
Energy: 0.6114911415306045
Energy: 1.1613659830097
Energy: 0.6114911415306045
Energy: 1.0586728999925907
Energy: 0.6123668495915953
Energy: 1.362752206324881
Energy: 0.6123668495922688
Energy: 0.956001883317886
Energy: 0.5629831858520978
Energy: 1.1767609591898296
Energy: 0.5629831858527713
Energy: 0.8195897915913896
Energy: 0.5574143435995682
Energy: 1.3632934084839894
Energy: 0.5574143435733039
Energy: 0.9466077080555163
Energy: 0.558905918803105
Energy: 1.3648828200463248
Energy: 0.558905918803105
Energy: 0.7041453855058314
Energy: 0.5647533218342409
Energy: 1.172941330631823
Energy: 0.5647533218342409
Energy: 0.6893789120573731
Energy: 0.5579129307824074
Energy: 1.4623148976442184
Energy: 0.5579129307824074
Energy: 0.7016508802797896
Energy: 0.5625589507920697
Energy: 1.368080607420957
Energy: 0.5625589507920697
Energy: 0.5681254328089292
Energy: 0.5632722986027523
Energy: 1.3730848584899882
Energy: 0.5632722986027523
Energy: 0.5589563361986545
Energy: 0.5583549714820865
Energy: 1.460630661166273
Energy: 0.5583549714820865
Energy: 0.5693311476637836
Energy: 0.5625519462839079
Energy: 1.2723141483035671
Energy: 0.5625519462839079
Energy: 0.7036606280038972
Energy: 0.5616768576400547
Energy: 1.467643495728716
Energy: 0.5616768576393812
Energy: 0.6872022063584663
Energy: 0.5581796698667861
Energy: 1.4610126906060248
Energy: 0.55817966986948
Energy: 0.704500612574227
Energy: 0.5641855824436901
Energy: 1.27555890528003
Energy: 0.5641855824436901
Energy: 0.9472838429352015
Energy: 0.559599313440433
Energy: 1.265434988658572
Energy: 0.5595993134411064
Energy: 0.9445665312189767
Energy: 0.5573355776798424
Energy: 1.3648684880448083
Energy: 0.5573355776832097
Energy: 0.9575772353943062
Energy: 0.5622382185068293
Energy: 1.0697181429213287
Energy: 0.5622382185068293
Energy: 1.164634258452911
Energy: 0.7771323877377868
Energy: 1.3641630484813678
Energy: 0.7771323877377868
Energy: 0.9447763077964884
Energy: 0.6117684812177512
Energy: 1.1630715530605544
Energy: 0.6117684812177512
Energy: 1.1691517597782206
Energy: 0.6168523152235561
Energy: 1.0685853631411826
Energy: 0.6168523152235561
Energy: 1.1674967098865818
Energy: 0.5604998475684262
Energy: 1.1652804116528632
Energy: 0.5604998475724057
Energy: 1.1635422827127968
Energy: 0.5585256459987726
Energy: 0.9464784895650052
Energy: 0.5585256459906913
Energy: 1.3687973268586513
Energy: 0.5581828463190845
Energy: 0.820254442325034
Energy: 0.5581828463096562
Energy: 1.1722947417861929
Energy: 0.5646380464058897
Energy: 0.955481821437904
Energy: 0.5646380464058897
Energy: 1.3656235452576044
Energy: 0.5610234779494793
Energy: 0.694303252892801
Energy: 0.5610234779494793
Energy: 1.4647990487498677
Energy: 0.5603474715362081
Energy: 0.6923143950093854
Energy: 0.5603474715362081
Energy: 1.3605315626531602
Energy: 0.564580253773988
Energy: 0.573930895829583
Energy: 0.564580253773988
Energy: 1.4657212017182897
Energy: 0.5607243595732775
Energy: 0.5651475599933412
Energy: 0.5607243595732775
Energy: 1.4620795272254155
Energy: 0.5611320023930912
Energy: 0.5613755598863215
Energy: 0.5611320023937647

minimum gb energy = 0.5573355776798424 eV
minimum distance =  2.30345207798178 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 1.5095439813885048
Energy: 0.5280591189123125
Energy: 0.5039546408730318
Energy: 0.5280591189140648
Energy: 1.4809666452280572
Energy: 0.5057094840406037
Energy: 0.6246250976146329
Energy: 0.5057094840406037
Energy: 1.3551963135349439
Energy: 0.5051958267893527
Energy: 0.6245133394719595
Energy: 0.5051958267899368
Energy: 1.1738380382888958
Energy: 0.5034903403267761
Energy: 0.8483397470319597
Energy: 0.503490340326192
Energy: 1.3987504556568087
Energy: 0.5033419603304274
Energy: 0.8432925100610286
Energy: 0.5033419603304274
Energy: 1.1785424160218965
Energy: 0.5042476076049113
Energy: 0.8487309840331433
Energy: 0.5042476076043273
Energy: 1.1751421901838843
Energy: 0.5047381850287002
Energy: 1.0455554341976239
Energy: 0.5047381850170186
Energy: 1.2246562950102198
Energy: 0.5034577734355553
Energy: 0.896771738080157
Energy: 0.5034577734349712
Energy: 1.177522777682158
Energy: 0.5043970436120802
Energy: 1.040932823685844
Energy: 0.5043970435940002
Energy: 1.1774873550924696
Energy: 0.5977292594065049
Energy: 1.2228511037680216
Energy: 0.5977292594065049
Energy: 1.0416961892096186
Energy: 0.5038398303176964
Energy: 1.0842549543341797
Energy: 0.503839830336971
Energy: 0.992541334771095
Energy: 0.5033817855189775
Energy: 1.222946991344894
Energy: 0.5033817839701042
Energy: 1.0409468105925315
Energy: 0.5030560440254682
Energy: 1.2680271768612374
Energy: 0.5030560440243002
Energy: 0.8477365276046298
Energy: 0.5058533559703672
Energy: 1.0824286125315496
Energy: 0.5058533559697831
Energy: 0.785475941236972
Energy: 0.5028669974934565
Energy: 1.3957753665398793
Energy: 0.502866997496377
Energy: 0.8497837982104949
Energy: 0.5054207102022376
Energy: 1.2694013796034012
Energy: 0.5054207102022376
Energy: 0.6201514877242676
Energy: 0.5034117620750694
Energy: 1.2642674168735912
Energy: 0.5034117620750694
Energy: 0.617875482466586
Energy: 0.5040565582578097
Energy: 1.4409464311874198
Energy: 0.5040565582578097
Energy: 0.6146700275650021
Energy: 0.5031665495400579
Energy: 1.4357817068802636
Energy: 0.5031665495400579
Energy: 0.5586092226039466
Energy: 0.5029313632362835
Energy: 1.4359106308964287
Energy: 0.5029313632362835
Energy: 0.5586696439680763
Energy: 0.5007922719410761
Energy: 1.4826224646443928
Energy: 0.5007922719410761
Energy: 0.563784911729325
Energy: 0.5007799400548654
Energy: 1.30833111795268
Energy: 0.5007799400548654
Energy: 0.6861504092786662
Energy: 0.5041513685786531
Energy: 1.477513785761389
Energy: 0.5041513685786531
Energy: 0.6763229565711331
Energy: 0.5029213397303091
Energy: 1.4815714895310323
Energy: 0.5029213397303091
Energy: 0.6861126948121526
Energy: 0.5008166956331903
Energy: 1.1734879663183577
Energy: 0.5008166956331903
Energy: 0.8425189995523122
Energy: 0.5032691548088565
Energy: 1.4808768743589729
Energy: 0.5032691548088565
Energy: 0.8419284251146579
Energy: 0.5027637042081042
Energy: 1.3552411131657751
Energy: 0.5027637042081042
Energy: 0.9490310044645025
Energy: 0.5029776688445751
Energy: 1.175401276494628
Energy: 0.502977668870832
Energy: 1.0430132182240968
Energy: 0.5025648825769593
Energy: 1.356325796619373
Energy: 0.5025648825769593
Energy: 1.0411624294490507
Energy: 0.5025973925410376
Energy: 1.1781913689289663
Energy: 0.5025973927792361
Energy: 1.2266892223711319
Energy: 0.5976741430331483
Energy: 0.9910555996674975
Energy: 0.5976741430331483
Energy: 1.0847791366497257
Energy: 0.5973935526174136
Energy: 1.1878327268836415
Energy: 0.5973935529028958
Energy: 1.2253355374277155
Energy: 0.6749122677274441
Energy: 0.9936146574610166
Energy: 0.67491226772686
Energy: 1.3194306861921772
Energy: 0.5035687569595139
Energy: 0.9946126369367582
Energy: 0.5035687569565934
Energy: 1.0827099749878717
Energy: 0.506942183813509
Energy: 0.8492524160140854
Energy: 0.506942183813509
Energy: 1.3999841306981524
Energy: 0.5034303857340564
Energy: 0.8429699056434635
Energy: 0.5034303857334723
Energy: 1.4366898230191658
Energy: 0.5044041711581766
Energy: 0.8467096439673973
Energy: 0.5044041711581766
Energy: 1.2647432588897654
Energy: 0.5036099823799649
Energy: 0.6257952076129084
Energy: 0.5036099823799649
Energy: 1.486219488670915
Energy: 0.5034475138746451
Energy: 0.6188895834837257
Energy: 0.5034475138746451
Energy: 1.4358793406785257
Energy: 0.5038592752006311
Energy: 0.6253274579065956
Energy: 0.5038592752006311
Energy: 1.262621270092508
Energy: 0.5043979725625732
Energy: 0.5056200176916409
Energy: 0.5043979725625732
Energy: 1.483489586397402
Energy: 0.503548102059791
Energy: 0.5042502303210739
Energy: 0.503548102059791
Energy: 1.3512603709761501
Energy: 0.5054768488205809
Energy: 0.5050248207381519
Energy: 0.5054768488205809

minimum gb energy = 0.5007799400548654 eV
minimum distance =  2.30034201185011 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.015513084072880537
Energy: 0.016168369642640106
Energy: 1.1183182826159097
Energy: 0.016168369642640106
Energy: 0.016228629390801056
Energy: 0.12079393044425836
Energy: 0.779991202575721
Energy: 0.12079393044425836
Energy: 0.016185227899700276
Energy: 0.11893009937607747
Energy: 0.7783108183655594
Energy: 0.11893009937607747
Energy: 0.017350034378020216
Energy: 0.12061540113412532
Energy: 0.7781302512176647
Energy: 0.12061540113412532
Energy: 0.7797199818063897
Energy: 0.12060170456819447
Energy: 0.7801567248065419
Energy: 0.12060170456819447
Energy: 0.01601272853717042
Energy: 0.11885449914870226
Energy: 0.7778427528870187
Energy: 0.11885449914870226

minimum gb energy = 0.015513084072880537 eV
minimum distance =  2.50681586721066 Angstroms
sigma value = 1